Chemical ID: 5152599

c1cc2c3=C4C(C=c3c1)NC(=O)C45CCCCC5C2
Chemical ID:
5152599
Name [?]:
None
SMILES [?]:
c1cc2c3=C4C(C=c3c1)NC(=O)C45CCCCC5C2
InChi [?]:
InChI=1/C17H17NO/c19-16-17-7-2-1-6-12(17)8-10-4-3-5-11-9-13(18-16)15(17)14(10)11/h3-5,9,12-13H,1-2,6-8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,15,1,2,9,17,14,19,7,3,8,18,6,4,5,11,13,10,12/rA:19cCCCCCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s4d7;d1s8;s6;s10;d11;s5s11;s13;s14;s15;s16;s13s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:8.32922
Area:392.069
Solvation:-1.4725
Coulombic:-23.6419
Bond Count [?]
All:23
Single:18
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:251.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.26
LogP (Chemaxon):2.59

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Descriptor Annotations

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